RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0187634
RefMet name	Clotrimazole
Systematic name	1-[(2-chlorophenyl)diphenylmethyl]-1H-imidazole
Synonyms	PubChem Synonyms
Exact mass	344.108026 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C22H17ClN2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37930 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	VNFPBHJOKIVQEB-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1ccc(cc1)C(c1ccccc1)(c1ccccc1Cl)n1ccnc1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Triphenyl compounds
Sub Class	Triphenyl compounds
Distribution of Clotrimazole in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Clotrimazole
External Links
Pubchem CID	2812
ChEBI ID	3764
KEGG ID	C06922
HMDB ID	HMDB0001922
Chemspider ID	2710
MetaCyc ID	CPD-8926
EPA CompTox	DTXCID009871
Spectral data for Clotrimazole standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)